dioxido(1,1,2,2,2-pentafluoroethoxy)borane

C2BF5O3-2 — CID 154095446

IUPACdioxido(1,1,2,2,2-pentafluoroethoxy)borane
SMILES[O-]B([O-])OC(F)(F)C(F)(F)F
InChIInChI=1S/C2BF5O3/c4-1(5,6)2(7,8)11-3(9)10/q-2
InChIKeyIEYMQLAMIAOPFK-UHFFFAOYSA-N
MW177.82 g/mol
LogP-1.14
Rot. Bonds2

About dioxido(1,1,2,2,2-pentafluoroethoxy)borane

dioxido(1,1,2,2,2-pentafluoroethoxy)borane (PubChem CID 154095446) has the molecular formula C2BF5O3-2 and a molecular weight of 177.82 g/mol. Its IUPAC name is dioxido(1,1,2,2,2-pentafluoroethoxy)borane.

Molecular Properties

Compound Namedioxido(1,1,2,2,2-pentafluoroethoxy)borane
PubChem CID154095446
Molecular FormulaC2BF5O3-2
Molecular Weight177.82 g/mol
Exact Mass177.99
IUPAC Namedioxido(1,1,2,2,2-pentafluoroethoxy)borane
SMILES[O-]B([O-])OC(F)(F)C(F)(F)F
InChIInChI=1S/C2BF5O3/c4-1(5,6)2(7,8)11-3(9)10/q-2
InChIKeyIEYMQLAMIAOPFK-UHFFFAOYSA-N
XLogP-1.14
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.82
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
CID 11805140
1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane
CID 141163022
difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)borane
CID 158763701
1-[[[[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2,2-pentafluoroethane
CID 175196171
dodecalithium;hexakis(fluoro(dioxido)borane)
CID 158162682
fluoro(dioxido)borane;bis(rubidium(1+))
CID 173279295
potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium
CID 172796390
1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
1,1,1,2,2-pentafluoro-2-(pentafluoro-lambda6-selanyl)oxyethane
CID 14026600
1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
CID 20606324
tris(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) borate
CID 140815611

Frequently Asked Questions

What is the IUPAC name of dioxido(1,1,2,2,2-pentafluoroethoxy)borane?
The IUPAC name of dioxido(1,1,2,2,2-pentafluoroethoxy)borane (CID 154095446) is dioxido(1,1,2,2,2-pentafluoroethoxy)borane.
What is the SMILES notation for dioxido(1,1,2,2,2-pentafluoroethoxy)borane?
The canonical SMILES for dioxido(1,1,2,2,2-pentafluoroethoxy)borane is [O-]B([O-])OC(F)(F)C(F)(F)F.
What is the InChIKey of dioxido(1,1,2,2,2-pentafluoroethoxy)borane?
The InChIKey is IEYMQLAMIAOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2BF5O3/c4-1(5,6)2(7,8)11-3(9)10/q-2.
What are the key properties of dioxido(1,1,2,2,2-pentafluoroethoxy)borane?
dioxido(1,1,2,2,2-pentafluoroethoxy)borane has a molecular weight of 177.82 g/mol, XLogP of -1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(1,1,2,2,2-pentafluoroethoxy)borane is sourced from PubChem (CID 154095446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).